SCHEMBL5837464

SCHEMBL5837464

CC(C)(C)OC(=O)c1c(N)sc2c1CCN(C(=O)O)C2C(=O)N1Cc2cccc(OCc3ccccc3)c2C1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.35
GHSR Q92847 5/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NT5E P21589 1/20 0.32
CARM1 Q86X55 1/20 0.32
GRM6 O15303 1/20 0.32
AGTR2 P50052 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR1B P28222 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
PTK2 Q05397 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5837674 0.88 PTPN2 (0.37) GHSRHTTNT5ECARM1PTK2
SCHEMBL5838606 0.84 ADORA1 (0.36) ADORA1MEN1LMNAMAPTKMT2A
SCHEMBL5837562 0.84 GRM6 (0.37) ADORA1MEN1LMNAMAPTKMT2A
SCHEMBL5837455 0.76 GHSR (0.38) ADORA1GHSRLMNAHTT
SCHEMBL5838342 0.75 MAPT (0.31) MAPTGRM6
SCHEMBL5838317 0.74 CXCR2 (0.33) MAPTKMT2AGAANT5E
SCHEMBL5838380 0.74 UCHL1 (0.42) GHSRHTT
SCHEMBL5838102 0.74 PTPN1 (0.38) LMNAMAPTNT5EAGTR2PTK2
SCHEMBL5771556 0.73 MAPT (0.38) ADORA1MEN1LMNAMAPTKMT2A
SCHEMBL7490599 0.72 ADORA1 (0.39) ADORA1MAPTHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 EP disclosed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed